Journal of Biomolecular NMR

, Volume 69, Issue 2, pp 69–80 | Cite as

Mollib: a molecular and NMR data analysis software

  • Justin L. Lorieau


Mollib is a software framework for the analysis of molecular structures, properties and data with an emphasis on data collected by NMR. It uses an open source model and a plugin framework to promote community-driven development of new and enhanced features. Mollib includes tools for the automatic retrieval and caching of protein databank (PDB) structures, the hydrogenation of biomolecules, the analysis of backbone dihedral angles and hydrogen bonds, and the fitting of residual dipolar coupling (RDC) and residual anisotropic chemical shift (RACS) data. In this article, we release version 1.0 of mollib and demonstrate its application to common molecular and NMR data analyses.



This work was supported by the NSF (#1651598).

Supplementary material

10858_2017_142_MOESM1_ESM.pdf (370 kb)
Supplementary material 1 (PDF 370 KB)


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Copyright information

© Springer Science+Business Media B.V. 2017

Authors and Affiliations

  1. 1.Department of ChemistryUniversity of Illinois at ChicagoChicagoUSA

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